ChemSpider 2D Image | Clofazimine | C27H22Cl2N4


  • Molecular FormulaC27H22Cl2N4
  • Average mass473.396 Da
  • Monoisotopic mass472.122162 Da
  • ChemSpider ID21159573

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2030-63-9 [RN]
217-980-2 [EINECS]
2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-
2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]- [ACD/Index Name]
Clofazimina [Spanish] [INN]
clofaziminum [Latin] [INN]
Lamprene [Trade name]
N,5-Bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydro-2-phenazinamine [ACD/IUPAC Name]
N,5-Bis(4-chlorophényl)-3-(isopropylimino)-3,5-dihydro-2-phénazinamine [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous
    • Target Organs:

      CzcO-like inhibitor;DNA intercalation TargetMol T0377
    • Chemical Class:

      3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of th e skin, so other treatments are often preferred in light-skinned patients. ChEBI CHEBI:3749
    • Bio Activity:

      CzcO-like;DNA TargetMol T0377
      Enzyme; DNA Damage/DNA Repair TargetMol T0377

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 2704.67
ACD/KOC (pH 5.5): 2702.31
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 5829.00
ACD/KOC (pH 7.4): 5823.92
Polar Surface Area: 40 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 366.1±7.0 cm3

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